SCHEMBL19612403

SCHEMBL19612403

CC(C)Oc1cccc2c(OC(C)C)c(Oc3ccccc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSPO P30536 1/20 0.35
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
RIPK1 Q13546 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19612469 0.84 NTRK1 (0.40) NTRK1NTRK3NTRK2NPSR1MAPT
SCHEMBL19612344 0.84 NPSR1 (0.43) NTRK1NTRK3NTRK2NPSR1TSPO
SCHEMBL19612390 0.81 SLC6A4 (0.39) NPSR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL19612331 0.78 MCHR1 (0.40) NTRK1NTRK3NTRK2NPSR1MAPT
SCHEMBL19612342 0.77 NPSR1 (0.45) NTRK1NTRK3NTRK2NPSR1MAPT
SCHEMBL19612334 0.77 MCL1 (0.41) NTRK1NTRK3NTRK2MAPTCYP1A2
SCHEMBL19612223 0.76 ALDH1A1 (0.48) MAPTTOP2ATOP2BKDM4EKMT2A
SCHEMBL24926216 0.76 ALDH1A1 (0.50) NTRK1NTRK3NTRK2NPSR1TSPO
SCHEMBL18686299 0.76 MAPT (0.53) NPSR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL29629320 0.76 MAPT (0.53) NPSR1MAPTCYP1A2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed